ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate

C15H18N2O2 — CID 107927296

IUPACethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(C)cc1C#N)C1CC1
InChIInChI=1S/C15H18N2O2/c1-3-19-15(18)10-17(13-5-6-13)14-7-4-11(2)8-12(14)9-16/h4,7-8,13H,3,5-6,10H2,1-2H3
InChIKeyMLYPIIQBYMTYOL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate

ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate (PubChem CID 107927296) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
PubChem CID107927296
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(C)cc1C#N)C1CC1
InChIInChI=1S/C15H18N2O2/c1-3-19-15(18)10-17(13-5-6-13)14-7-4-11(2)8-12(14)9-16/h4,7-8,13H,3,5-6,10H2,1-2H3
InChIKeyMLYPIIQBYMTYOL-UHFFFAOYSA-N
XLogP2.40
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
ethyl 2-(3-bromo-4-cyano-N-cyclopropylanilino)acetate
CID 107276176
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
CID 81285843
ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
CID 62308708
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
CID 114017453
ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
CID 62004608
2-(2-cyano-N,4-dimethylanilino)acetamide
CID 107927039
ethyl 2-(N-cyclopropyl-3-fluoro-2-nitroanilino)acetate
CID 62007053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate?
The IUPAC name of ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate (CID 107927296) is ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate?
The canonical SMILES for ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate is CCOC(=O)CN(c1ccc(C)cc1C#N)C1CC1.
What is the InChIKey of ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate?
The InChIKey is MLYPIIQBYMTYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-15(18)10-17(13-5-6-13)14-7-4-11(2)8-12(14)9-16/h4,7-8,13H,3,5-6,10H2,1-2H3.
What are the key properties of ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate?
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate has a molecular weight of 258.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate is sourced from PubChem (CID 107927296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).